#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mgq s VAL 9 N 0.00 0.13 0.36 1.55 1.01 -1.26 -4.90 120.40 117.29 1mgq s VAL 9 Ca 0.00 0.08 -0.27 0.00 0.00 0.00 0.00 61.98 61.79 1mgq s VAL 9 Cb 0.00 -0.21 -0.10 0.00 0.00 0.00 0.00 36.38 36.07 1mgq s VAL 9 CO 0.00 0.12 1.29 0.21 0.00 0.00 0.00 175.10 176.72 1mgq s ASN 10 N 0.85 6.58 0.08 3.32 3.84 -1.26 -4.87 114.94 123.48 1mgq s ASN 10 Ca -0.08 2.65 0.08 0.00 0.21 0.00 0.00 52.86 55.71 1mgq s ASN 10 Cb -0.11 -2.64 0.38 0.00 -0.55 0.00 0.00 41.25 38.33 1mgq s ASN 10 CO -0.02 -0.66 1.24 1.33 -2.79 0.00 0.00 177.10 176.20 1mgq n VAL 11 N 0.49 1.59 0.23 -5.21 0.24 -1.26 -1.64 118.33 112.78 1mgq n VAL 11 Ca 0.02 0.50 0.03 0.00 -2.04 0.00 0.00 64.34 62.84 1mgq n VAL 11 Cb 0.43 -1.46 0.03 0.00 -1.47 0.00 0.00 33.84 31.37 1mgq n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1mgq n GLN 12 N -1.69 0.09 -3.74 7.34 6.02 -1.26 -4.82 117.38 119.31 1mgq n GLN 12 Ca 0.00 -0.94 -0.28 0.00 -0.01 0.00 0.00 57.00 55.78 1mgq n GLN 12 Cb 0.04 -1.12 -0.11 0.00 1.02 0.00 0.00 30.24 30.07 1mgq n GLN 12 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1mgq n ARG 13 N 0.33 1.34 0.23 -1.09 1.74 -0.65 -4.97 116.66 113.59 1mgq n ARG 13 Ca 0.04 -4.09 0.07 0.00 -0.77 0.00 0.00 57.85 53.10 1mgq n ARG 13 Cb 0.17 -2.10 0.59 0.00 -1.02 0.00 0.00 32.46 30.10 1mgq n ARG 13 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1mgq h PRO 14 N 5.45 0.03 0.00 5.56 0.10 -1.88 -2.17 132.00 139.09 1mgq h PRO 14 Ca 0.19 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.28 1mgq h PRO 14 Cb 0.80 -0.01 0.00 0.00 0.10 0.00 0.00 31.00 31.89 1mgq h PRO 14 CO 0.61 0.08 0.00 1.28 0.10 0.00 0.00 178.00 180.07 1mgq n LEU 15 N -4.47 0.00 0.24 2.35 4.32 -1.26 -1.44 117.00 116.73 1mgq n LEU 15 Ca -0.03 0.46 0.11 0.00 -0.02 0.00 0.00 56.01 56.54 1mgq n LEU 15 Cb 0.14 -0.46 0.53 0.00 -1.62 0.00 0.00 43.42 42.00 1mgq n LEU 15 CO 0.35 -0.27 0.85 0.44 -1.22 0.00 0.00 177.39 177.54 1mgq h ASP 16 N 0.00 0.00 0.21 -1.43 5.19 -1.77 -1.80 116.42 116.82 1mgq h ASP 16 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 1mgq h ASP 16 Cb 0.19 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 1mgq h ASP 16 CO 0.00 0.18 -0.20 0.00 -3.12 0.00 0.00 179.24 176.10 1mgq h ALA 17 N 1.82 1.64 -0.06 3.45 0.00 -1.44 0.36 119.26 125.03 1mgq h ALA 17 Ca -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1mgq h ALA 17 Cb 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1mgq h ALA 17 CO 0.02 0.25 -0.20 -0.07 0.00 0.00 0.00 179.25 179.25 1mgq h LEU 18 N 0.00 0.29 -1.14 0.00 3.38 -1.51 -3.15 115.31 113.17 1mgq h LEU 18 Ca -0.00 -0.62 0.05 0.00 0.09 0.00 0.00 57.88 57.40 1mgq h LEU 18 Cb 0.36 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 1mgq h LEU 18 CO 0.03 0.86 0.59 1.23 0.09 0.00 0.00 178.44 181.23 1mgq h GLY 19 N -0.27 1.30 2.00 0.83 0.00 -1.32 -1.94 103.07 103.67 1mgq h GLY 19 Ca -0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1mgq h GLY 19 CO 0.04 0.35 -0.09 3.43 0.00 0.00 0.00 176.54 180.28 1mgq h ASN 20 N 1.09 0.00 -0.41 0.19 2.35 -0.93 -2.67 115.58 115.20 1mgq h ASN 20 Ca 0.37 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.12 1mgq h ASN 20 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 1mgq h ASN 20 CO -0.12 0.09 0.00 -1.20 -1.65 0.00 0.00 177.43 174.55 1mgq n SER 21 N -3.41 3.85 -4.66 5.81 7.64 -0.75 -5.03 113.62 117.07 1mgq n SER 21 Ca -0.01 -2.51 -0.43 0.00 1.01 0.00 0.00 58.87 56.93 1mgq n SER 21 Cb 0.25 -0.45 -0.01 0.00 -1.01 0.00 0.00 64.21 62.99 1mgq n SER 21 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1mgq n LEU 22 N 0.32 2.88 -2.01 -3.43 4.77 -1.01 -2.37 117.00 116.15 1mgq n LEU 22 Ca 0.19 1.20 -0.17 0.00 -0.03 0.00 0.00 56.01 57.19 1mgq n LEU 22 Cb 0.74 -1.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.41 1mgq n LEU 22 CO 0.16 -0.84 -0.22 0.59 -1.33 0.00 0.00 177.39 175.75 1mgq n ASN 23 N 0.93 -5.12 -4.17 -1.43 3.02 0.24 -4.97 115.26 103.75 1mgq n ASN 23 Ca 0.07 -0.02 -0.11 0.00 -0.03 0.00 0.00 54.58 54.48 1mgq n ASN 23 Cb 0.35 -4.20 -0.10 0.00 -0.61 0.00 0.00 39.78 35.22 1mgq n ASN 23 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1mgq s SER 24 N -2.23 0.44 0.15 6.41 1.04 -1.00 -4.90 113.70 113.60 1mgq s SER 24 Ca 0.01 -1.23 -0.31 0.00 0.48 0.00 0.00 55.95 54.90 1mgq s SER 24 Cb -0.00 0.28 -0.08 0.00 0.10 0.00 0.00 66.02 66.31 1mgq s SER 24 CO 0.01 -0.72 1.38 -2.84 0.98 0.00 0.00 173.24 172.05 1mgq s PRO 25 N -4.04 4.33 0.25 4.02 0.02 -1.26 -1.80 135.00 136.52 1mgq s PRO 25 Ca 0.26 2.10 0.03 0.00 0.02 0.00 0.00 61.00 63.42 1mgq s PRO 25 Cb 0.07 -3.22 -0.05 0.00 0.02 0.00 0.00 34.50 31.32 1mgq s PRO 25 CO 0.04 -0.40 0.02 0.14 -0.33 0.00 0.00 177.00 176.47 1mgq s VAL 26 N 0.80 1.01 -0.13 3.83 -7.23 -0.12 -4.77 120.40 113.78 1mgq s VAL 26 Ca 0.63 -2.03 -0.00 0.00 -1.81 0.00 0.00 61.98 58.77 1mgq s VAL 26 Cb -0.37 -2.47 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 1mgq s VAL 26 CO 0.33 -0.22 -0.12 -0.63 -0.31 0.00 0.00 175.10 174.15 1mgq s ILE 27 N -3.43 3.10 -0.27 -0.62 1.01 0.20 -2.21 121.20 118.97 1mgq s ILE 27 Ca 0.31 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.34 1mgq s ILE 27 Cb 0.06 -2.31 0.05 0.00 0.01 0.00 0.00 42.46 40.28 1mgq s ILE 27 CO 0.11 0.52 -0.08 -0.63 0.00 0.00 0.00 174.94 174.85 1mgq s ILE 28 N 0.38 2.40 -0.24 2.92 -1.09 0.76 -1.07 121.20 125.27 1mgq s ILE 28 Ca -0.10 -1.53 -0.19 0.00 -2.23 0.00 0.00 60.65 56.60 1mgq s ILE 28 Cb -0.16 -2.39 -0.03 0.00 -1.58 0.00 0.00 42.46 38.31 1mgq s ILE 28 CO 0.05 -0.02 0.55 -0.75 -1.23 0.00 0.00 174.94 173.54 1mgq s LYS 29 N 1.15 4.12 0.40 2.79 2.47 -0.25 -1.01 119.74 129.43 1mgq s LYS 29 Ca -0.07 0.43 0.08 0.00 -1.56 0.00 0.00 55.97 54.84 1mgq s LYS 29 Cb -0.20 -3.62 0.00 0.00 -1.46 0.00 0.00 37.83 32.56 1mgq s LYS 29 CO -0.04 -0.30 0.54 -0.51 0.16 0.00 0.00 175.35 175.19 1mgq s LEU 30 N 2.13 3.71 0.63 5.43 1.02 -0.31 0.29 118.68 131.59 1mgq s LEU 30 Ca 0.24 -0.39 -0.18 0.00 0.02 0.00 0.00 54.13 53.82 1mgq s LEU 30 Cb -0.16 -2.65 -0.02 0.00 0.02 0.00 0.00 46.19 43.39 1mgq s LEU 30 CO 0.09 -0.68 1.22 -0.54 0.02 0.00 0.00 176.35 176.46 1mgq s LYS 31 N -4.30 2.75 -0.69 1.70 1.02 -0.13 -3.87 119.74 116.22 1mgq s LYS 31 Ca 0.52 1.83 -0.03 0.00 0.02 0.00 0.00 55.97 58.32 1mgq s LYS 31 Cb -0.10 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 1mgq s LYS 31 CO 0.32 -1.38 0.40 0.41 -0.92 0.00 0.00 175.35 174.18 1mgq n GLY 32 N 0.50 0.17 2.60 -3.33 0.00 -1.26 -3.62 105.19 100.26 1mgq n GLY 32 Ca 0.14 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.69 1mgq n GLY 32 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mgq n ASP 33 N -0.41 -5.35 -4.88 1.61 2.03 -1.25 -4.85 116.55 103.45 1mgq n ASP 33 Ca -0.03 0.41 -0.31 0.00 0.52 0.00 0.00 54.79 55.38 1mgq n ASP 33 Cb 0.54 -4.32 -0.05 0.00 -0.72 0.00 0.00 41.12 36.58 1mgq n ASP 33 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 1mgq s ARG 34 N -3.39 3.77 0.00 -0.67 3.52 -1.24 -2.26 118.95 118.68 1mgq s ARG 34 Ca 0.00 0.24 -0.15 0.00 -0.13 0.00 0.00 55.73 55.69 1mgq s ARG 34 Cb 0.00 -2.62 0.02 0.00 -1.56 0.00 0.00 34.95 30.79 1mgq s ARG 34 CO 0.00 0.26 0.32 -2.00 -0.81 0.00 0.00 175.30 173.07 1mgq s GLU 35 N -3.06 0.72 0.07 5.12 2.12 -0.60 -1.16 118.70 121.91 1mgq s GLU 35 Ca 0.47 -0.28 0.08 0.00 0.36 0.00 0.00 54.97 55.60 1mgq s GLU 35 Cb -0.11 0.32 -0.03 0.00 0.26 0.00 0.00 34.13 34.57 1mgq s GLU 35 CO 0.24 -0.21 -0.21 -0.06 -0.54 0.00 0.00 175.26 174.48 1mgq s PHE 36 N -1.70 1.81 -0.07 5.30 0.08 -0.18 0.50 117.98 123.72 1mgq s PHE 36 Ca -0.11 -0.39 -0.00 0.00 0.12 0.00 0.00 56.93 56.55 1mgq s PHE 36 Cb -0.04 -1.05 0.02 0.00 -0.57 0.00 0.00 43.02 41.39 1mgq s PHE 36 CO 0.02 0.14 -0.04 1.03 -0.10 0.00 0.00 175.22 176.27 1mgq s ARG 37 N -1.45 0.94 -0.06 0.44 0.52 -0.69 -0.17 118.95 118.48 1mgq s ARG 37 Ca 0.07 -0.07 -0.29 0.00 -0.52 0.00 0.00 55.73 54.92 1mgq s ARG 37 Cb -0.09 -1.08 0.10 0.00 0.52 0.00 0.00 34.95 34.39 1mgq s ARG 37 CO 0.03 -0.20 1.32 0.41 0.02 0.00 0.00 175.30 176.87 1mgq n GLY 38 N 4.65 0.15 3.64 -3.53 0.00 -0.94 -0.38 105.19 108.78 1mgq n GLY 38 Ca -0.15 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 1mgq n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mgq s VAL 39 N -2.01 4.75 0.07 1.61 1.01 -0.44 -0.95 120.40 124.44 1mgq s VAL 39 Ca 0.31 1.66 -0.31 0.00 0.00 0.00 0.00 61.98 63.64 1mgq s VAL 39 Cb -0.00 -4.21 -0.07 0.00 0.00 0.00 0.00 36.38 32.10 1mgq s VAL 39 CO -0.02 -0.17 1.46 -0.22 0.00 0.00 0.00 175.10 176.16 1mgq s LEU 40 N 3.04 4.35 -0.03 3.92 2.96 -0.74 -0.62 118.68 131.56 1mgq s LEU 40 Ca 0.38 2.31 0.04 0.00 -0.22 0.00 0.00 54.13 56.64 1mgq s LEU 40 Cb -0.15 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.91 1mgq s LEU 40 CO 0.08 -0.74 0.04 0.29 -1.32 0.00 0.00 176.35 174.70 1mgq n LYS 41 N 4.81 2.48 -3.50 1.98 4.76 0.23 0.79 118.16 129.71 1mgq n LYS 41 Ca 0.13 -0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.46 1mgq n LYS 41 Cb 0.42 -1.11 -0.03 0.00 -1.84 0.00 0.00 35.03 32.48 1mgq n LYS 41 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1mgq s SER 42 N -3.25 -0.42 0.08 4.39 0.15 -1.21 -4.85 113.70 108.59 1mgq s SER 42 Ca -0.02 0.12 -0.26 0.00 0.70 0.00 0.00 55.95 56.49 1mgq s SER 42 Cb 0.02 0.41 0.07 0.00 -1.71 0.00 0.00 66.02 64.81 1mgq s SER 42 CO 0.18 -0.62 0.63 0.72 1.20 0.00 0.00 173.24 175.34 1mgq s PHE 43 N -2.74 -0.58 0.29 3.44 -0.12 -1.26 -1.21 117.98 115.80 1mgq s PHE 43 Ca 0.02 0.63 0.00 0.00 -0.05 0.00 0.00 56.93 57.54 1mgq s PHE 43 Cb -0.01 0.50 -0.00 0.00 -0.63 0.00 0.00 43.02 42.88 1mgq s PHE 43 CO -0.06 -0.76 0.00 -0.40 -0.05 0.00 0.00 175.22 173.95 1mgq n ASP 44 N 0.12 2.73 0.04 1.98 5.68 -0.64 -4.99 116.55 121.46 1mgq n ASP 44 Ca -0.18 -2.30 0.08 0.00 -0.50 0.00 0.00 54.79 51.89 1mgq n ASP 44 Cb 0.62 0.23 0.34 0.00 -1.14 0.00 0.00 41.12 41.17 1mgq n ASP 44 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mgq n LEU 45 N 0.00 0.20 -0.22 -2.12 -0.00 -1.26 -1.42 117.00 112.19 1mgq n LEU 45 Ca -0.12 0.56 0.14 0.00 -0.00 0.00 0.00 56.01 56.58 1mgq n LEU 45 Cb 0.38 -0.54 0.52 0.00 -0.00 0.00 0.00 43.42 43.78 1mgq n LEU 45 CO 0.20 -0.39 0.80 1.41 -0.00 0.00 0.00 177.39 179.41 1mgq n HIS 46 N -1.73 0.00 -1.16 1.47 8.25 -1.26 -4.93 115.22 115.86 1mgq n HIS 46 Ca 0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.43 1mgq n HIS 46 Cb 0.16 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 1mgq n HIS 46 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1mgq n MET 47 N -0.66 -0.71 -2.00 -0.41 2.81 -0.50 -4.29 117.12 111.36 1mgq n MET 47 Ca 0.15 0.58 -0.41 0.00 -1.81 0.00 0.00 57.70 56.20 1mgq n MET 47 Cb 0.31 -4.36 -0.02 0.00 -0.71 0.00 0.00 33.22 28.44 1mgq n MET 47 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1mgq s ASN 48 N -2.55 6.62 0.11 7.83 0.01 -1.26 -3.68 114.94 122.02 1mgq s ASN 48 Ca 0.00 2.78 -0.14 0.00 -0.71 0.00 0.00 52.86 54.80 1mgq s ASN 48 Cb 0.00 -2.65 0.02 0.00 0.41 0.00 0.00 41.25 39.04 1mgq s ASN 48 CO 0.00 -0.68 0.33 -1.48 -1.51 0.00 0.00 177.10 173.76 1mgq s LEU 49 N -1.43 0.74 -0.11 0.60 0.05 -0.84 -1.63 118.68 116.06 1mgq s LEU 49 Ca 0.53 -0.42 -0.01 0.00 0.05 0.00 0.00 54.13 54.29 1mgq s LEU 49 Cb -0.42 1.57 -0.03 0.00 -2.05 0.00 0.00 46.19 45.26 1mgq s LEU 49 CO 0.53 -0.81 -0.08 -0.69 -0.55 0.00 0.00 176.35 174.75 1mgq s VAL 50 N -3.78 3.56 0.11 1.48 1.01 -0.35 -0.99 120.40 121.44 1mgq s VAL 50 Ca 0.03 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.60 1mgq s VAL 50 Cb 0.03 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1mgq s VAL 50 CO -0.11 0.55 -0.17 -0.76 0.00 0.00 0.00 175.10 174.61 1mgq s LEU 51 N -0.18 2.75 0.12 3.92 1.43 0.14 -0.60 118.68 126.26 1mgq s LEU 51 Ca 0.02 -0.52 0.06 0.00 -1.03 0.00 0.00 54.13 52.65 1mgq s LEU 51 Cb -0.13 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1mgq s LEU 51 CO 0.03 0.18 -0.01 0.20 0.23 0.00 0.00 176.35 176.98 1mgq s ASN 52 N -2.11 4.91 -1.10 2.29 0.01 0.21 -1.18 114.94 117.97 1mgq s ASN 52 Ca 0.18 -0.26 -0.21 0.00 -0.71 0.00 0.00 52.86 51.86 1mgq s ASN 52 Cb -0.11 -1.12 0.01 0.00 0.41 0.00 0.00 41.25 40.44 1mgq s ASN 52 CO 0.10 0.15 0.75 0.47 -1.51 0.00 0.00 177.10 177.06 1mgq n ASP 53 N 0.35 -5.16 -4.74 -1.22 8.00 0.06 -1.33 116.55 112.51 1mgq n ASP 53 Ca -0.11 -1.03 -0.33 0.00 0.71 0.00 0.00 54.79 54.03 1mgq n ASP 53 Cb 0.53 -2.90 -0.08 0.00 -0.02 0.00 0.00 41.12 38.65 1mgq n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mgq s ALA 54 N -3.40 3.46 -0.13 2.24 0.00 -0.29 -4.45 121.76 119.19 1mgq s ALA 54 Ca 0.41 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.44 1mgq s ALA 54 Cb -0.17 -1.52 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 1mgq s ALA 54 CO 0.89 0.66 0.07 -1.21 0.00 0.00 0.00 175.76 176.17 1mgq s GLU 55 N -1.50 3.49 -0.05 0.00 2.02 0.48 0.57 118.70 123.72 1mgq s GLU 55 Ca 0.20 -0.28 -0.16 0.00 0.02 0.00 0.00 54.97 54.75 1mgq s GLU 55 Cb -0.12 -3.09 -0.05 0.00 0.10 0.00 0.00 34.13 30.97 1mgq s GLU 55 CO 0.10 0.59 0.42 -2.00 0.02 0.00 0.00 175.26 174.39 1mgq s GLU 56 N -0.52 4.09 0.08 1.61 2.12 0.35 -1.70 118.70 124.72 1mgq s GLU 56 Ca 0.11 0.39 0.07 0.00 0.36 0.00 0.00 54.97 55.89 1mgq s GLU 56 Cb -0.12 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 1mgq s GLU 56 CO 0.02 0.48 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.54 1mgq s LEU 57 N -0.40 2.26 -0.03 2.70 1.02 0.18 -0.19 118.68 124.22 1mgq s LEU 57 Ca 0.24 -0.62 -0.01 0.00 0.02 0.00 0.00 54.13 53.76 1mgq s LEU 57 Cb -0.16 -0.72 0.03 0.00 0.02 0.00 0.00 46.19 45.37 1mgq s LEU 57 CO 0.11 0.01 0.03 -1.61 0.02 0.00 0.00 176.35 174.92 1mgq s GLU 58 N -1.68 0.02 -1.69 1.70 2.02 0.69 -1.55 118.70 118.21 1mgq s GLU 58 Ca 0.03 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.24 1mgq s GLU 58 Cb -0.10 -0.39 0.00 0.00 0.10 0.00 0.00 34.13 33.74 1mgq s GLU 58 CO 0.03 -0.22 0.00 -3.47 0.02 0.00 0.00 175.26 171.62 1mgq n ASP 59 N 4.56 -4.93 -0.18 -0.19 2.03 -0.96 -1.75 116.55 115.13 1mgq n ASP 59 Ca -0.19 0.37 -0.02 0.00 0.52 0.00 0.00 54.79 55.46 1mgq n ASP 59 Cb 0.50 -3.86 -0.01 0.00 -0.72 0.00 0.00 41.12 37.03 1mgq n ASP 59 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1mgq n GLY 60 N -1.00 0.53 3.68 0.27 0.00 -1.26 -5.03 105.19 102.37 1mgq n GLY 60 Ca -0.16 -0.26 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 1mgq n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mgq s GLU 61 N -1.31 2.88 0.05 1.61 2.02 -0.72 -5.07 118.70 118.16 1mgq s GLU 61 Ca 0.00 -0.50 -0.31 0.00 0.02 0.00 0.00 54.97 54.18 1mgq s GLU 61 Cb 0.00 -2.73 -0.06 0.00 0.10 0.00 0.00 34.13 31.45 1mgq s GLU 61 CO 0.00 0.67 1.25 0.08 0.02 0.00 0.00 175.26 177.27 1mgq s VAL 62 N -0.97 3.93 -0.23 2.63 1.01 -1.26 -0.22 120.40 125.28 1mgq s VAL 62 Ca 0.16 1.37 0.02 0.00 0.00 0.00 0.00 61.98 63.53 1mgq s VAL 62 Cb -0.11 -3.88 -0.19 0.00 0.00 0.00 0.00 36.38 32.20 1mgq s VAL 62 CO 0.06 0.08 -0.09 0.35 0.00 0.00 0.00 175.10 175.50 1mgq n THR 63 N 4.09 1.53 -3.84 3.92 -2.24 0.73 -4.91 114.28 113.57 1mgq n THR 63 Ca 0.10 -0.61 -0.08 0.00 -2.27 0.00 0.00 64.05 61.19 1mgq n THR 63 Cb 0.45 -1.39 -0.00 0.00 -2.10 0.00 0.00 70.33 67.30 1mgq n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mgq s ARG 64 N -2.53 1.99 -0.08 -0.78 1.70 -1.23 -5.04 118.95 112.99 1mgq s ARG 64 Ca -0.30 -1.19 0.02 0.00 -0.47 0.00 0.00 55.73 53.78 1mgq s ARG 64 Cb 0.08 0.62 -0.03 0.00 -0.57 0.00 0.00 34.95 35.06 1mgq s ARG 64 CO 0.65 -0.92 -0.11 0.50 -1.08 0.00 0.00 175.30 174.34 1mgq s ARG 65 N -3.19 2.81 -0.04 3.89 3.52 -1.26 -0.50 118.95 124.18 1mgq s ARG 65 Ca 0.13 -0.63 0.05 0.00 -0.13 0.00 0.00 55.73 55.16 1mgq s ARG 65 Cb -0.06 -2.53 -0.01 0.00 -1.56 0.00 0.00 34.95 30.79 1mgq s ARG 65 CO 0.09 0.55 -0.20 -0.51 -0.81 0.00 0.00 175.30 174.41 1mgq s LEU 66 N -0.51 2.00 0.20 -0.88 1.43 0.19 -4.95 118.68 116.16 1mgq s LEU 66 Ca 0.07 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 1mgq s LEU 66 Cb -0.12 -1.10 0.12 0.00 0.03 0.00 0.00 46.19 45.13 1mgq s LEU 66 CO 0.02 0.21 1.71 1.23 0.23 0.00 0.00 176.35 179.75 1mgq h GLY 67 N 5.97 1.21 -5.25 -3.19 0.00 -1.93 -0.75 103.07 99.14 1mgq h GLY 67 Ca -0.35 -0.78 -0.17 0.00 0.00 0.00 0.00 47.33 46.03 1mgq h GLY 67 CO 0.48 0.72 -0.47 -1.59 0.00 0.00 0.00 176.54 175.68 1mgq s THR 68 N -5.26 0.02 -0.12 4.70 2.01 -1.26 -0.76 115.64 114.96 1mgq s THR 68 Ca -0.12 -0.14 -0.08 0.00 0.31 0.00 0.00 61.69 61.66 1mgq s THR 68 Cb 0.15 -0.33 0.04 0.00 0.01 0.00 0.00 72.50 72.37 1mgq s THR 68 CO 0.85 -0.08 0.30 0.54 -0.69 0.00 0.00 174.62 175.54 1mgq s VAL 69 N -0.21 -0.02 -0.25 3.82 0.11 -0.32 -5.00 120.40 118.53 1mgq s VAL 69 Ca -0.03 0.08 -0.09 0.00 -2.93 0.00 0.00 61.98 59.01 1mgq s VAL 69 Cb -0.03 -0.44 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 1mgq s VAL 69 CO 0.01 0.03 0.11 -0.22 -3.33 0.00 0.00 175.10 171.70 1mgq s LEU 70 N 0.87 3.69 -0.16 2.54 2.96 -1.26 -0.69 118.68 126.63 1mgq s LEU 70 Ca -0.06 -0.10 -0.04 0.00 -0.22 0.00 0.00 54.13 53.71 1mgq s LEU 70 Cb -0.07 -2.00 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1mgq s LEU 70 CO -0.06 -0.01 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.31 1mgq s ILE 71 N 1.51 4.05 0.09 6.68 1.01 -0.17 -4.97 121.20 129.40 1mgq s ILE 71 Ca 0.06 -0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.11 1mgq s ILE 71 Cb -0.15 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.48 1mgq s ILE 71 CO 0.06 0.48 1.03 -0.13 0.00 0.00 0.00 174.94 176.38 1mgq s ARG 72 N 0.40 4.61 0.51 2.79 0.52 -1.26 -1.99 118.95 124.53 1mgq s ARG 72 Ca -0.03 1.54 0.16 0.00 -0.52 0.00 0.00 55.73 56.89 1mgq s ARG 72 Cb -0.14 -3.37 1.23 0.00 0.52 0.00 0.00 34.95 33.19 1mgq s ARG 72 CO 0.02 0.05 2.12 0.78 0.02 0.00 0.00 175.30 178.30 1mgq h GLY 73 N 5.96 0.00 2.00 -3.53 0.00 -1.74 -2.53 103.07 103.23 1mgq h GLY 73 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1mgq h GLY 73 CO 0.74 0.00 0.00 -1.80 0.00 0.00 0.00 176.54 175.48 1mgq h ASP 74 N 0.00 0.00 0.32 0.19 3.58 -1.89 -0.29 116.42 118.33 1mgq h ASP 74 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1mgq h ASP 74 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1mgq h ASP 74 CO 0.00 0.00 -0.54 0.59 -2.88 0.00 0.00 179.24 176.42 1mgq n ASN 75 N -2.42 0.81 -4.79 2.28 3.02 -0.95 -4.95 115.26 108.26 1mgq n ASN 75 Ca -0.00 -0.61 -0.39 0.00 -0.03 0.00 0.00 54.58 53.55 1mgq n ASN 75 Cb 0.11 0.37 -0.06 0.00 -0.61 0.00 0.00 39.78 39.60 1mgq n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1mgq s ILE 76 N -2.86 4.45 -0.25 2.41 1.01 -0.12 -0.95 121.20 124.88 1mgq s ILE 76 Ca 0.14 1.58 -0.15 0.00 0.00 0.00 0.00 60.65 62.22 1mgq s ILE 76 Cb 0.18 -4.07 -0.11 0.00 0.01 0.00 0.00 42.46 38.47 1mgq s ILE 76 CO 0.68 0.50 -0.31 0.52 0.00 0.00 0.00 174.94 176.33 1mgq n VAL 77 N 1.53 1.52 -3.86 2.92 0.31 0.15 -4.83 118.33 116.07 1mgq n VAL 77 Ca -0.06 -0.23 -0.09 0.00 -0.01 0.00 0.00 64.34 63.94 1mgq n VAL 77 Cb 0.49 -2.01 -0.04 0.00 -0.91 0.00 0.00 33.84 31.37 1mgq n VAL 77 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1mgq s TYR 78 N -2.58 0.06 -0.02 3.52 -0.85 -1.07 -5.02 117.35 111.39 1mgq s TYR 78 Ca -0.36 -0.43 0.01 0.00 -0.52 0.00 0.00 57.07 55.77 1mgq s TYR 78 Cb 0.12 0.34 0.01 0.00 0.38 0.00 0.00 41.96 42.81 1mgq s TYR 78 CO 0.48 -0.98 -0.01 0.42 -1.52 0.00 0.00 175.55 173.94 1mgq s ILE 79 N -3.93 0.20 -0.02 -3.49 1.01 -1.26 -1.09 121.20 112.62 1mgq s ILE 79 Ca 0.14 -0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.79 1mgq s ILE 79 Cb -0.01 -0.24 0.01 0.00 0.01 0.00 0.00 42.46 42.23 1mgq s ILE 79 CO 0.03 0.11 -0.03 -0.55 0.00 0.00 0.00 174.94 174.50 1mgq s SER 80 N 0.54 0.56 0.00 3.58 0.15 -0.23 -4.99 113.70 113.32 1mgq s SER 80 Ca -0.05 -0.07 0.18 0.00 0.70 0.00 0.00 55.95 56.71 1mgq s SER 80 Cb -0.08 -0.20 1.07 0.00 -1.71 0.00 0.00 66.02 65.10 1mgq s SER 80 CO -0.01 -0.03 1.47 -0.81 1.20 0.00 0.00 173.24 175.06